1. Primary Information
| English name: | Crosstide |
| CAS No.: | 171783-05-4 |
| Molecular formula: | C48H77N17O17 |
| Molecular weight: | 1164.2 g/mol |
| SMILES: | CC(C(C(=O)NC(CO)C(=O)NC(CO)C(=O)NC(CC1=CC=CC=C1)C(=O)NC(C)C(=O)NC(CCC(=O)O)C(=O)NCC(=O)O)NC(=O)C(CCCN=C(N)N)NC(=O)C2CCCN2C(=O)C(CCCN=C(N)N)NC(=O)CN)O |
| Structural class: | |
| Other identifiers: |
- |
2. Suppliers & Pricing
| Supplier | Pack size | Purity | Price (CNY) | Storage conditions | Lead time | Notes |
| Kehua Intelligence | 1mg | 98% | 880 | -20°C | in stock | - |
| Kehua Intelligence | 5mg | 98% | 3520 | -20°C | in stock | - |
3. Structures
3.1 2D structure
3.2 3D structure
4. International Nomenclature & Identifiers
4.1 IUPAC Name
(4S)-4-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[(2-aminoacetyl)amino]-5-(diaminomethylideneamino)pentanoyl]pyrrolidine-2-carbonyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-hydroxybutanoyl]amino]-3-hydroxypropanoyl]amino]-3-hydroxypropanoyl]amino]-3-phenylpropanoyl]amino]propanoyl]amino]-5-(carboxymethylamino)-5-oxopentanoic acid
4.2 InChI
InChI=1S/C48H77N17O17/c1-24(38(74)59-28(14-15-35(70)71)39(75)56-21-36(72)73)57-41(77)30(19-26-9-4-3-5-10-26)61-42(78)31(22-66)62-43(79)32(23-67)63-45(81)37(25(2)68)64-40(76)27(11-6-16-54-47(50)51)60-44(80)33-13-8-18-65(33)46(82)29(58-34(69)20-49)12-7-17-55-48(52)53/h3-5,9-10,24-25,27-33,37,66-68H,6-8,11-23,49H2,1-2H3,(H,56,75)(H,57,77)(H,58,69)(H,59,74)(H,60,80)(H,61,78)(H,62,79)(H,63,81)(H,64,76)(H,70,71)(H,72,73)(H4,50,51,54)(H4,52,53,55)/t24-,25+,27-,28-,29-,30-,31-,32-,33-,37-/m0/s1
4.3 InChIKey
KJAXEBRGQOHHOY-VXRVIWLSSA-N
4.4 Canonical SMILES
CC(C(C(=O)NC(CO)C(=O)NC(CO)C(=O)NC(CC1=CC=CC=C1)C(=O)NC(C)C(=O)NC(CCC(=O)O)C(=O)NCC(=O)O)NC(=O)C(CCCN=C(N)N)NC(=O)C2CCCN2C(=O)C(CCCN=C(N)N)NC(=O)CN)O
4.5 Isomeric SMILES
C[C@H]([C@@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(=O)O)C(=O)NCC(=O)O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCN=C(N)N)NC(=O)CN)O
