Win 65365

Structural Information

Molecular Formula

C₅₈H₈₇N₁₉O₁₃S

SMILES

C1CC[C@H]2[C@@H](C1)C([C@H](N2)C(=O)N[C@@H](CCCN=C(N)N)C(=O)O)C(=O)[C@@H]3CC4=CC=CC=C4C(N3)C(=O)[C@H](CO)NC(=O)[C@H](C5=CC=CS5)NC(=O)CNC(=O)[C@@H]6C[C@H](CN6C(=O)[C@@H]7CCCN7C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](CCCN=C(N)N)N)O

InChI

InChI=1S/C58H87N19O13S/c59-33(13-5-19-66-56(60)61)49(83)72-35(15-6-20-67-57(62)63)53(87)76-22-8-17-39(76)54(88)77-27-30(79)25-40(77)50(84)69-26-42(80)75-45(41-18-9-23-91-41)51(85)74-38(28-78)48(82)44-31-11-2-1-10-29(31)24-37(71-44)47(81)43-32-12-3-4-14-34(32)70-46(43)52(86)73-36(55(89)90)16-7-21-68-58(64)65/h1-2,9-11,18,23,30,32-40,43-46,70-71,78-79H,3-8,12-17,19-22,24-28,59H2,(H,69,84)(H,72,83)(H,73,86)(H,74,85)(H,75,80)(H,89,90)(H4,60,61,66)(H4,62,63,67)(H4,64,65,68)/t30-,32-,33-,34+,35+,36+,37+,38+,39+,40+,43?,44?,45+,46+/m1/s1

InChIKey

WSAAZMBIRGMLIB-CHDSZNFHSA-N

Compound name

(2S)-2-[[(2S,3aS,7aS)-3-[(3S)-1-[(2S)-2-[[(2R)-2-[[2-[[(2S,4R)-1-[(2S)-1-[(2S)-2-[[(2R)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]pyrrolidine-2-carbonyl]-4-hydroxypyrrolidine-2-carbonyl]amino]acetyl]amino]-2-thiophen-2-ylacetyl]amino]-3-hydroxypropanoyl]-1,2,3,4-tetrahydroisoquinoline-3-carbonyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carbonyl]amino]-5-(diaminomethylideneamino)pentanoic acid

Related CIDs

• CID 56841715