(3r)-n-[(1r)-1-[[(3s)-1-amino-6-(diaminomethylideneamino)-1-oxohexan-3-yl]carbamoylamino]propyl]-3-[[(3s)-3-[[(1r)-1-[[(3r)-3-[[(3s)-3-[[(1r)-1-[[(3r)-3-[[(3s)-3-amino-4-(4-hydroxyphenyl)butanoyl]amino]-4-methylhexanoyl]amino]propyl]carbamoylamino]-6-(diaminomethylideneamino)hexanoyl]amino]-4-methylhexanoyl]amino]propyl]carbamoylamino]-6-(diaminomethylideneamino)hexanoyl]amino]-4-methylhexanamide

Structural Information

Molecular Formula

C₆₄H₁₁₉N₂₃O₁₁

SMILES

CC[C@H](NC(=O)C[C@H](C(C)CC)NC(=O)C[C@H](CCCN=C(N)N)NC(=O)N[C@H](CC)NC(=O)C[C@H](C(C)CC)NC(=O)C[C@H](CCCN=C(N)N)NC(=O)N[C@H](CC)NC(=O)C[C@H](C(C)CC)NC(=O)C[C@H](CC1=CC=C(C=C1)O)N)NC(=O)N[C@@H](CCCN=C(N)N)CC(=O)N

InChI

InChI=1S/C64H119N23O11/c1-10-37(7)46(79-53(90)30-41(65)29-40-22-24-45(88)25-23-40)34-56(93)83-51(14-5)86-63(97)77-43(20-17-27-74-60(69)70)32-55(92)81-48(39(9)12-3)36-58(95)84-52(15-6)87-64(98)78-44(21-18-28-75-61(71)72)33-54(91)80-47(38(8)11-2)35-57(94)82-50(13-4)85-62(96)76-42(31-49(66)89)19-16-26-73-59(67)68/h22-25,37-39,41-44,46-48,50-52,88H,10-21,26-36,65H2,1-9H3,(H2,66,89)(H,79,90)(H,80,91)(H,81,92)(H,82,94)(H,83,93)(H,84,95)(H4,67,68,73)(H4,69,70,74)(H4,71,72,75)(H2,76,85,96)(H2,77,86,97)(H2,78,87,98)/t37?,38?,39?,41-,42-,43-,44-,46+,47+,48+,50+,51+,52+/m0/s1

InChIKey

RSLOWIBZCVLRLY-AJTVNHPLSA-N

Compound name

(3R)-N-[(1R)-1-[[(3S)-1-amino-6-(diaminomethylideneamino)-1-oxohexan-3-yl]carbamoylamino]propyl]-3-[[(3S)-3-[[(1R)-1-[[(3R)-3-[[(3S)-3-[[(1R)-1-[[(3R)-3-[[(3S)-3-amino-4-(4-hydroxyphenyl)butanoyl]amino]-4-methylhexanoyl]amino]propyl]carbamoylamino]-6-(diaminomethylideneamino)hexanoyl]amino]-4-methylhexanoyl]amino]propyl]carbamoylamino]-6-(diaminomethylideneamino)hexanoyl]amino]-4-methylhexanamide

Related CIDs

• CID 129904859